Mol:FL5F1GNS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2827 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2827 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7264 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1701 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1701 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7264 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6138 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0575 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0575 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6138 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6138 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4986 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0655 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6325 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6325 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0655 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4986 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2552 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6400 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6400 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2552 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8085 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8085 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6745 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6745 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8063 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8063 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5816 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5816 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6400 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1401 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1401 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 25 26 | + | M SAL 3 2 25 26 |
− | M SBL 3 1 28 | + | M SBL 3 1 28 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 28 -2.64 0.4113 | + | M SVB 3 28 -2.64 0.4113 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
− | M SBL 2 1 26 | + | M SBL 2 1 26 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 26 1.3489 1.6718 | + | M SVB 2 26 1.3489 1.6718 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 24 | + | M SBL 1 1 24 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 24 0.1527 -1.0348 | + | M SVB 1 24 0.1527 -1.0348 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5F1GNS0002 | + | ID FL5F1GNS0002 |
− | KNApSAcK_ID C00005049 | + | KNApSAcK_ID C00005049 |
− | NAME Kanugin | + | NAME Kanugin |
− | CAS_RN 574-03-8 | + | CAS_RN 574-03-8 |
− | FORMULA C19H16O7 | + | FORMULA C19H16O7 |
− | EXACTMASS 356.089602866 | + | EXACTMASS 356.089602866 |
− | AVERAGEMASS 356.32614 | + | AVERAGEMASS 356.32614 |
− | SMILES c(c12)c(C(O4)=C(C(c(c43)ccc(OC)c3)=O)OC)cc(c1OCO2)OC | + | SMILES c(c12)c(C(O4)=C(C(c(c43)ccc(OC)c3)=O)OC)cc(c1OCO2)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -2.2827 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2827 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7264 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6325 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 -0.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 0.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -1.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 -1.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8063 1.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5816 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1401 1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 -2.64 0.4113 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.3489 1.6718 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.1527 -1.0348 S SKP 8 ID FL5F1GNS0002 KNApSAcK_ID C00005049 NAME Kanugin CAS_RN 574-03-8 FORMULA C19H16O7 EXACTMASS 356.089602866 AVERAGEMASS 356.32614 SMILES c(c12)c(C(O4)=C(C(c(c43)ccc(OC)c3)=O)OC)cc(c1OCO2)OC M END